benzenesulfonic acid; [4-[bis(4-dimethylaminophenyl)methylidene]naphthalen-1-ylidene]-phenyl-azanium

Systemtic Name: benzenesulfonic acid; [4-[bis(4-dimethylaminophenyl)methylidene]naphthalen-1-ylidene]-phenyl-azanium Openeye Name: benzenesulfonic acid; [4-[bis(4-dimethylaminophenyl)methylene]-1-naphthylidene]-phenyl-ammonium CAS Name: benzenesulfonic acid; [4-[bis(4-dimethylaminophenyl)methylidene]-1-naphthalenylidene]-phenylammonium IUPAC Name: benzenesulfonic acid; [4-[bis(4-dimethylaminophenyl)methylidene]naphthalen-1-ylidene]-phenylazanium Traditional Name: besylic acid; [4-[bis(4-dimethylaminophenyl)methylene]-1-naphthylidene]-phenyl-ammonium Formula: C39H38N3O3S+ MolecularWeight: 628.80232

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[NH+]C3=CC=CC=C3)C4=CC=CC=C24)C5=CC=C(C=C5)N(C)C.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[NH+]C3=CC=CC=C3)C4=CC=CC=C24)C5=CC=C(C=C5)N(C)C.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C33H31N3.C6H6O3S/c1-35(2)27-18-14-24(15-19-27)33(25-16-20-28(21-17-25)36(3)4)31-22-23-32(30-13-9-8-12-29(30)31)34-26-10-6-5-7-11-26;7-10(8,9)6-4-2-1-3-5-6/h5-23H,1-4H3;1-5H,(H,7,8,9)/p+1